2-(2,2-dicyclohexylethyl)pyrrolidine;hydrochloride

C18H34ClN — CID 3047555

IUPAC2-(2,2-dicyclohexylethyl)pyrrolidine;hydrochloride
SMILESC1CCC(C(CC2CCCN2)C2CCCCC2)CC1.Cl
InChIInChI=1S/C18H33N.ClH/c1-3-8-15(9-4-1)18(14-17-12-7-13-19-17)16-10-5-2-6-11-16;/h15-19H,1-14H2;1H
InChIKeyJEHNFUFWVHOHHQ-UHFFFAOYSA-N
MW299.93 g/mol
LogP5.33
Rot. Bonds4

About 2-(2,2-dicyclohexylethyl)pyrrolidine;hydrochloride

2-(2,2-dicyclohexylethyl)pyrrolidine;hydrochloride (PubChem CID 3047555) has the molecular formula C18H34ClN and a molecular weight of 299.93 g/mol. Its IUPAC name is 2-(2,2-dicyclohexylethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(2,2-dicyclohexylethyl)pyrrolidine;hydrochloride
PubChem CID3047555
Molecular FormulaC18H34ClN
Molecular Weight299.93 g/mol
Exact Mass299.24
IUPAC Name2-(2,2-dicyclohexylethyl)pyrrolidine;hydrochloride
SMILESC1CCC(C(CC2CCCN2)C2CCCCC2)CC1.Cl
InChIInChI=1S/C18H33N.ClH/c1-3-8-15(9-4-1)18(14-17-12-7-13-19-17)16-10-5-2-6-11-16;/h15-19H,1-14H2;1H
InChIKeyJEHNFUFWVHOHHQ-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.93
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dicyclohexylethyl)pyrrolidine;hydrochloride?
The IUPAC name of 2-(2,2-dicyclohexylethyl)pyrrolidine;hydrochloride (CID 3047555) is 2-(2,2-dicyclohexylethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-(2,2-dicyclohexylethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-(2,2-dicyclohexylethyl)pyrrolidine;hydrochloride is C1CCC(C(CC2CCCN2)C2CCCCC2)CC1.Cl.
What is the InChIKey of 2-(2,2-dicyclohexylethyl)pyrrolidine;hydrochloride?
The InChIKey is JEHNFUFWVHOHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N.ClH/c1-3-8-15(9-4-1)18(14-17-12-7-13-19-17)16-10-5-2-6-11-16;/h15-19H,1-14H2;1H.
What are the key properties of 2-(2,2-dicyclohexylethyl)pyrrolidine;hydrochloride?
2-(2,2-dicyclohexylethyl)pyrrolidine;hydrochloride has a molecular weight of 299.93 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dicyclohexylethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 3047555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).